2-(3,4-difluorophenyl)ethanamine;hydrochloride

C8H10ClF2N — CID 66523804

IUPAC2-(3,4-difluorophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(F)c(F)c1
InChIInChI=1S/C8H9F2N.ClH/c9-7-2-1-6(3-4-11)5-8(7)10;/h1-2,5H,3-4,11H2;1H
InChIKeyUTNHFYIEDYWAMO-UHFFFAOYSA-N
MW193.62 g/mol
LogP1.89
Rot. Bonds2

About 2-(3,4-difluorophenyl)ethanamine;hydrochloride

2-(3,4-difluorophenyl)ethanamine;hydrochloride (PubChem CID 66523804) has the molecular formula C8H10ClF2N and a molecular weight of 193.62 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)ethanamine;hydrochloride
PubChem CID66523804
Molecular FormulaC8H10ClF2N
Molecular Weight193.62 g/mol
Exact Mass193.05
IUPAC Name2-(3,4-difluorophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(F)c(F)c1
InChIInChI=1S/C8H9F2N.ClH/c9-7-2-1-6(3-4-11)5-8(7)10;/h1-2,5H,3-4,11H2;1H
InChIKeyUTNHFYIEDYWAMO-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.62
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 55255604
2-(4-bromo-3-fluorophenyl)ethanamine
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2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol
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1,2-difluoro-4-propylbenzene;methane
CID 160697343
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
CID 178200982
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3,4-difluorophenyl)ethanamine;hydrochloride (CID 66523804) is 2-(3,4-difluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,4-difluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,4-difluorophenyl)ethanamine;hydrochloride is Cl.NCCc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)ethanamine;hydrochloride?
The InChIKey is UTNHFYIEDYWAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N.ClH/c9-7-2-1-6(3-4-11)5-8(7)10;/h1-2,5H,3-4,11H2;1H.
What are the key properties of 2-(3,4-difluorophenyl)ethanamine;hydrochloride?
2-(3,4-difluorophenyl)ethanamine;hydrochloride has a molecular weight of 193.62 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 66523804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).